chempirical

3-Isopropylphenol

C9H12OCAS 618-45-1136.19 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Melting point
26 °C
Boiling point
228 °C
logP
2.52Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
618-45-1
SMILES
CC(C)c1cccc(O)c1
InChIKey
VLJSLTNSFSOYQR-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Phenol, 3-(1-methylethyl)-
  • Phenol, m-isopropyl-
  • 3-(1-Methylethyl)phenol
  • m-Cumenol
  • m-Isopropylphenol
  • NSC 2209
  • 3-(Propan-2-yl)phenol
  • 3-Isopropylhydroxybenzene

Work with 3-Isopropylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diisopropylbenzene99-62-765 % similar 3-[1-(Dimethylamino)ethyl]phenol105601-04-558 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-858 % similar 4-Isopropylphenol99-89-854 % similar Hinokitiol499-44-553 % similar Resorcinol108-46-352 % similar 3-(1-Methylethyl)benzenamine5369-16-452 % similar 3-Isopropyl-5-methylphenol3228-03-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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